CID 4614950

303059-25-8

Structural Information

Molecular Formula
C19H13N5O
SMILES
CC1=CC=C(C=C1)C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N
InChI
InChI=1S/C19H13N5O/c1-12-6-8-13(9-7-12)18(25)22-17-14(10-20)11-24-16-5-3-2-4-15(16)21-19(24)23-17/h2-9,11H,1H3,(H,21,22,23,25)
InChIKey
GBWKPEMZCOBPPM-UHFFFAOYSA-N
Compound name
N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.112 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11928 181.4
[M+Na]+ 350.10122 193.5
[M-H]- 326.10472 183.9
[M+NH4]+ 345.14582 192.6
[M+K]+ 366.07516 183.9
[M+H-H2O]+ 310.10926 164.2
[M+HCOO]- 372.11020 197.6
[M+CH3COO]- 386.12585 189.9
[M+Na-2H]- 348.08667 185.7
[M]+ 327.11145 177.9
[M]- 327.11255 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.